CID 85745672

195157-66-5

Structural Information

Molecular Formula

C₁₄H₁₅N₃O

SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)O)C3CC3

InChI

InChI=1S/C14H15N3O/c1-9-8-13(10-2-3-10)17-14(15-9)16-11-4-6-12(18)7-5-11/h4-8,10,18H,2-3H2,1H3,(H,15,16,17)

InChIKey

LBDZGKRFRHHISM-UHFFFAOYSA-N

Compound name

4-[(4-cyclopropyl-6-methylpyrimidin-2-yl)amino]phenol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 0
Patents: 241.1215 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	242.128776	156.7
[M+Na]+	264.110718	166.7
[M-H]-	240.114224	163.5
[M+NH4]+	259.155323	166.1
[M+K]+	280.084658	160.7
[M+H-H2O]+	224.118760	147.8
[M+HCOO]-	286.119701	179.0
[M+CH3COO]-	300.135351	168.1
[M+Na-2H]-	262.096166	162.8
[M]+	241.12095142	157.8
[M]-	241.12204858	157.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.